- InChI
- InChI=1S/C8H4ClF3O2/c9-5-2-1-3-6(4-5)14-7(13)8(10,11)12/h1-4H
- InChI Key
- IVGWAFXWYCCNGV-UHFFFAOYSA-N
- Formula
- C8H4ClF3O2
- SMILES
- O=C(Oc1cccc(Cl)c1)C(F)(F)F
- Molecular Weight1
- 224.56
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -708.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -841.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.13 | kJ/mol | Joback Calculated Property |
| log10WS | -3.13 | Crippen Calculated Property | |
| logPoct/wat | 2.808 | Crippen Calculated Property | |
| McVol | 124.810 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Inp | 1016.00 | NIST | |
| Tboil | 522.40 | K | Joback Calculated Property |
| Tc | 728.51 | K | Joback Calculated Property |
| Tfus | 325.13 | K | Joback Calculated Property |
| Vc | 0.491 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.30; 314.32] | J/mol×K | [522.40; 728.51] | 
|
| Cp,gas | 266.30 | J/mol×K | 522.40 | Joback Calculated Property |
| Cp,gas | 275.92 | J/mol×K | 556.75 | Joback Calculated Property |
| Cp,gas | 284.85 | J/mol×K | 591.10 | Joback Calculated Property |
| Cp,gas | 293.13 | J/mol×K | 625.46 | Joback Calculated Property |
| Cp,gas | 300.78 | J/mol×K | 659.81 | Joback Calculated Property |
| Cp,gas | 307.83 | J/mol×K | 694.16 | Joback Calculated Property |
| Cp,gas | 314.32 | J/mol×K | 728.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorophenol, trifluoroacetate.
Sources
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